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CAS Number: 32996-16-0
ethyl 1H-indole-5-carboxylate

Structure

ethyl 1H-indole-5-carboxylate
Name: ethyl 1H-indole-5-carboxylate
Synonyms:
General Information
Product Number: 32996160
CAS Registry Number: 32996-16-0
Name:
        1H-​Indole-​5-​carboxylic acid, ethyl ester
        Indole-​5-​carboxylic acid, ethyl ester (8CI); 5-​(Ethoxycarbonyl)​indole; 5-​Carbethoxyindole; 5-​Carboethoxyindole; 5-​Ethoxycarbonyl-​1H-​indole; Ethyl 1H-​indole-​5-​carboxylate; Ethyl 5-​indolecarboxylate 
 
Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)
Elemental Analysis: C, 69.83; H, 5.86; N, 7.40; O, 16.91
 
InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12H,2H2,1H3
InChIKey: PDXPRWCJESNIIT-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(C=C1)NC=C2
 
Thermal Properties Value Condition Note
Melting Point 96.5-97.5 °C   (2)CAS

Specification

98%

References
  1. (1) Lee, Adam Shih-Yuan; Synthesis 2004, (4), P568-572 CAPLUS
  2. (2) Trost, Barry M.; Angewandte Chemie, International Edition 2007, V46(12), P2074-2077 CAPLUS
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